4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde

C11H8N2O2 — CID 12909289

IUPAC4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde
SMILESO=Cc1cn2c(n1)COc1ccccc1-2
InChIInChI=1S/C11H8N2O2/c14-6-8-5-13-9-3-1-2-4-10(9)15-7-11(13)12-8/h1-6H,7H2
InChIKeyAOYWJAUDQZEKGD-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.58
Rot. Bonds1

About 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde

4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde (PubChem CID 12909289) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde.

Molecular Properties

Compound Name4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde
PubChem CID12909289
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde
SMILESO=Cc1cn2c(n1)COc1ccccc1-2
InChIInChI=1S/C11H8N2O2/c14-6-8-5-13-9-3-1-2-4-10(9)15-7-11(13)12-8/h1-6H,7H2
InChIKeyAOYWJAUDQZEKGD-UHFFFAOYSA-N
XLogP1.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde?
The IUPAC name of 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde (CID 12909289) is 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde.
What is the SMILES notation for 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde?
The canonical SMILES for 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde is O=Cc1cn2c(n1)COc1ccccc1-2.
What is the InChIKey of 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde?
The InChIKey is AOYWJAUDQZEKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-6-8-5-13-9-3-1-2-4-10(9)15-7-11(13)12-8/h1-6H,7H2.
What are the key properties of 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde?
4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde has a molecular weight of 200.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde is sourced from PubChem (CID 12909289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).